Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50237190'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50237190 (CHEMBL4094554) Show SMILES NS(=O)(=O)c1ccc(NC(=O)NCCN2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C20H24F3N5O3S/c21-20(22,23)15-1-5-17(6-2-15)28-13-11-27(12-14-28)10-9-25-19(29)26-16-3-7-18(8-4-16)32(24,30)31/h1-8H,9-14H2,(H2,24,30,31)(H2,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description In vitro reversal of vecuronium-induced neuromuscular block in guinea pig hemi-diaphragm.				J Med Chem 60: 2456-2469 (2017) Article DOI: 10.1021/acs.jmedchem.6b01804 BindingDB Entry DOI: 10.7270/Q25X2C6G
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